(5-chlorocyclohexa-1,5-dien-1-yl)methanol

C7H9ClO — CID 156646713

IUPAC(5-chlorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC(Cl)=C1
InChIInChI=1S/C7H9ClO/c8-7-3-1-2-6(4-7)5-9/h2,4,9H,1,3,5H2
InChIKeyBLCNQEOXRVBADX-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.82
Rot. Bonds1

About (5-chlorocyclohexa-1,5-dien-1-yl)methanol

(5-chlorocyclohexa-1,5-dien-1-yl)methanol (PubChem CID 156646713) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (5-chlorocyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(5-chlorocyclohexa-1,5-dien-1-yl)methanol
PubChem CID156646713
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(5-chlorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC(Cl)=C1
InChIInChI=1S/C7H9ClO/c8-7-3-1-2-6(4-7)5-9/h2,4,9H,1,3,5H2
InChIKeyBLCNQEOXRVBADX-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-chlorocyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (5-chlorocyclohexa-1,5-dien-1-yl)methanol (CID 156646713) is (5-chlorocyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (5-chlorocyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (5-chlorocyclohexa-1,5-dien-1-yl)methanol is OCC1=CCCC(Cl)=C1.
What is the InChIKey of (5-chlorocyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is BLCNQEOXRVBADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-7-3-1-2-6(4-7)5-9/h2,4,9H,1,3,5H2.
What are the key properties of (5-chlorocyclohexa-1,5-dien-1-yl)methanol?
(5-chlorocyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 144.60 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorocyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 156646713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).